Geometry & MOs

Info

ID:	172897
PubChem CID:	75568442
Reduced:	ClO2N3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	433.19209
ΔH_f, kcal/mol:	-33.12
Dipole, Da:	3.36
IP(EA), eV:	-7.86(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)C=NNC(=O)CC3=CC(=CC=C3)OC)C(=CC1(C)C)C

DOS

IR

Vibrations